SCHEMBL6507548

SCHEMBL6507548

CNC1CCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.53
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
ROCK1 Q13464 2/20 0.50
MCHR1 Q99705 4/20 0.48
NOTUM Q6P988 1/20 0.46
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PIM1 P11309 1/20 0.43
OPRL1 P41146 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7604788 1.00 ROCK2 (0.53) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7608380 1.00 ROCK2 (0.53) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8789394 0.85 ROCK2 (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL6510658 0.85 ROCK2 (0.53) ROCK2ROCK1HDAC6
SCHEMBL8788206 0.84 ROCK2 (0.51) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8788129 0.82 ROCK2 (0.49) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL6508427 0.82 CA12 (0.62) DRD2DRD3KCNH2NOTUMCA12
SCHEMBL8787438 0.82 ROCK2 (0.48) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7604476 0.81 NOTUM (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8787922 0.81 DRD2 (0.50) ROCK2DRD2DRD3KCNH2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed